4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine

C103H111Cl7N18O6S3 — CID 161152453

IUPAC4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine
SMILESCN(C)S(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)N(C)C)cc2)nc(N)n1.Cc1cccc(-c2cc(CC3(Cc4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccc(S(=O)(=O)N(C)C)cc3)nc(N)n2)c1C.Nc1nc(CC2CC2)cc(-c2ccc(Cl)c(Cl)c2Cl)n1
InChIInChI=1S/C23H24ClN3.C23H28N4O2S.C22H25ClN4O2S.C21H22Cl2N4O2S.C14H12Cl3N3/c1-15-4-3-5-20(16(15)2)21-12-19(26-22(25)27-21)14-23(10-11-23)13-17-6-8-18(24)9-7-17;1-16-7-5-10-21(17(16)2)22-15-19(25-23(24)26-22)9-6-8-18-11-13-20(14-12-18)30(28,29)27(3)4;1-15-19(8-5-9-20(15)23)21-14-17(25-22(24)26-21)7-4-6-16-10-12-18(13-11-16)30(28,29)27(2)3;1-27(2)30(28,29)16-11-9-14(10-12-16)5-3-6-15-13-19(26-21(24)25-15)17-7-4-8-18(22)20(17)23;15-10-4-3-9(12(16)13(10)17)11-6-8(5-7-1-2-7)19-14(18)20-11/h3-9,12H,10-11,13-14H2,1-2H3,(H2,25,26,27);5,7,10-15H,6,8-9H2,1-4H3,(H2,24,25,26);5,8-14H,4,6-7H2,1-3H3,(H2,24,25,26);4,7-13H,3,5-6H2,1-2H3,(H2,24,25,26);3-4,6-7H,1-2,5H2,(H2,18,19,20)
InChIKeyUOWBEBFVQLAGAZ-UHFFFAOYSA-N
MW2041.51 g/mol
LogP22.54
Rot. Bonds29

About 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine

4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine (PubChem CID 161152453) has the molecular formula C103H111Cl7N18O6S3 and a molecular weight of 2041.51 g/mol. Its IUPAC name is 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine
PubChem CID161152453
Molecular FormulaC103H111Cl7N18O6S3
Molecular Weight2041.51 g/mol
Exact Mass2036.59
IUPAC Name4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine
SMILESCN(C)S(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)N(C)C)cc2)nc(N)n1.Cc1cccc(-c2cc(CC3(Cc4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccc(S(=O)(=O)N(C)C)cc3)nc(N)n2)c1C.Nc1nc(CC2CC2)cc(-c2ccc(Cl)c(Cl)c2Cl)n1
InChIInChI=1S/C23H24ClN3.C23H28N4O2S.C22H25ClN4O2S.C21H22Cl2N4O2S.C14H12Cl3N3/c1-15-4-3-5-20(16(15)2)21-12-19(26-22(25)27-21)14-23(10-11-23)13-17-6-8-18(24)9-7-17;1-16-7-5-10-21(17(16)2)22-15-19(25-23(24)26-22)9-6-8-18-11-13-20(14-12-18)30(28,29)27(3)4;1-15-19(8-5-9-20(15)23)21-14-17(25-22(24)26-21)7-4-6-16-10-12-18(13-11-16)30(28,29)27(2)3;1-27(2)30(28,29)16-11-9-14(10-12-16)5-3-6-15-13-19(26-21(24)25-15)17-7-4-8-18(22)20(17)23;15-10-4-3-9(12(16)13(10)17)11-6-8(5-7-1-2-7)19-14(18)20-11/h3-9,12H,10-11,13-14H2,1-2H3,(H2,25,26,27);5,7,10-15H,6,8-9H2,1-4H3,(H2,24,25,26);5,8-14H,4,6-7H2,1-3H3,(H2,24,25,26);4,7-13H,3,5-6H2,1-2H3,(H2,24,25,26);3-4,6-7H,1-2,5H2,(H2,18,19,20)
InChIKeyUOWBEBFVQLAGAZ-UHFFFAOYSA-N
XLogP22.54
TPSA371.14 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002041.51
LogP ≤ 522.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine (CID 161152453) is 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine is CN(C)S(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(=O)(=O)N(C)C)cc2)nc(N)n1.Cc1cccc(-c2cc(CC3(Cc4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccc(S(=O)(=O)N(C)C)cc3)nc(N)n2)c1C.Nc1nc(CC2CC2)cc(-c2ccc(Cl)c(Cl)c2Cl)n1.
What is the InChIKey of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine?
The InChIKey is UOWBEBFVQLAGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3.C23H28N4O2S.C22H25ClN4O2S.C21H22Cl2N4O2S.C14H12Cl3N3/c1-15-4-3-5-20(16(15)2)21-12-19(26-22(25)27-21)14-23(10-11-23)13-17-6-8-18(24)9-7-17;1-16-7-5-10-21(17(16)2)22-15-19(25-23(24)26-22)9-6-8-18-11-13-20(14-12-18)30(28,29)27(3)4;1-15-19(8-5-9-20(15)23)21-14-17(25-22(24)26-21)7-4-6-16-10-12-18(13-11-16)30(28,29)27(2)3;1-27(2)30(28,29)16-11-9-14(10-12-16)5-3-6-15-13-19(26-21(24)25-15)17-7-4-8-18(22)20(17)23;15-10-4-3-9(12(16)13(10)17)11-6-8(5-7-1-2-7)19-14(18)20-11/h3-9,12H,10-11,13-14H2,1-2H3,(H2,25,26,27);5,7,10-15H,6,8-9H2,1-4H3,(H2,24,25,26);5,8-14H,4,6-7H2,1-3H3,(H2,24,25,26);4,7-13H,3,5-6H2,1-2H3,(H2,24,25,26);3-4,6-7H,1-2,5H2,(H2,18,19,20).
What are the key properties of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine?
4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine has a molecular weight of 2041.51 g/mol, XLogP of 22.54, 29 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(2,3,4-trichlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 161152453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).